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1DY9
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Inhibition of the Hepatitis C Virus NS3/4A Protease. The Crystal Structures of Two Protease-Inhibitor Complexes (inhibitor I)
分子名称: N-(tert-butoxycarbonyl)-L-alpha-glutamyl-N-[(1R)-1-(carboxycarbonyl)-3,3-difluoropropyl]-L-leucinamide, NONSTRUCTURAL PROTEIN NS4A (P4), PROTEASE/HELICASE NS3 (P70), ...
著者Di Marco, S, Rizzi, M, Volpari, C, Walsh, M, Narjes, F, Colarusso, S, De Francesco, R, Matassa, V.G, Sollazzo, M.
登録日2000-01-31
公開日2001-01-28
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Inhibition of the Hepatitis C Virus Ns3/4A Protease the Crystal Structures of Two Protease-Inhibitor Complexes
J.Biol.Chem., 275, 2000
1DXP
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Inhibition of the Hepatitis C Virus NS3/4A Protease. The Crystal Structures of Two Protease-Inhibitor Complexes (apo structure)
分子名称: GLYCEROL, NONSTRUCTURAL PROTEIN NS4A (P4), PROTEASE/HELICASE NS3 (P70), ...
著者Di Marco, S, Rizzi, M, Volpari, C, Walsh, M, Narjes, F, Colarusso, S, De Francesco, R, Matassa, V.G, Sollazzo, M.
登録日2000-01-13
公開日2001-01-12
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Inhibition of the Hepatitis C Virus Ns3/4A Protease the Crystal Structures of Two Protease-Inhibitor Complexes
J.Biol.Chem., 275, 2000
1DY8
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Inhibition of the Hepatitis C Virus NS3/4A Protease. The Crystal Structures of Two Protease-Inhibitor Complexes (inhibitor II)
分子名称: N-[(benzyloxy)carbonyl]-L-isoleucyl-N-[(1R)-1-(carboxycarbonyl)-3,3-difluoropropyl]-L-leucinamide, NONSTRUCTURAL PROTEIN NS4A (P4), PROTEASE/HELICASE NS3 (P70)
著者Di Marco, S, Rizzi, M, Volpari, C, Walsh, M, Narjes, F, Colarusso, S, De Francesco, R, Matassa, V.G, Sollazzo, M.
登録日2000-01-31
公開日2001-01-28
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Inhibition of the Hepatitis C Virus Ns3/4A Protease the Crystal Structures of Two Protease-Inhibitor Complexes
J.Biol.Chem., 275, 2000
2BRL
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Crystal structure of Hepatitis C virus polymerase in complex with an allosteric inhibitor (compound 2)
分子名称: 3-CYCLOHEXYL-1-(2-{METHYL[(1-METHYLPIPERIDIN-3-YL)METHYL]AMINO}-2-OXOETHYL)-2-PHENYL-1H-INDOLE-6-CARBOXYLIC ACID, MANGANESE (II) ION, RNA-DIRECTED RNA POLYMERASE
著者Di Marco, S, Volpari, C, Carfi, A.
登録日2005-05-06
公開日2005-06-14
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Interdomain Communication in Hepatitis C Virus Polymerase Abolished by Small-Molecule Inhibitors Bound to a Novel Allosteric Site
J.Biol.Chem., 280, 2005
2BRK
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Crystal structure of Hepatitis C virus polymerase in complex with an allosteric inhibitor (compound 1)
分子名称: 3-CYCLOHEXYL-1-(2-MORPHOLIN-4-YL-2-OXOETHYL)-2-PHENYL-1H-INDOLE-6-CARBOXYLIC ACID, MANGANESE (II) ION, RNA-DIRECTED RNA POLYMERASE
著者Di Marco, S, Volpari, C, Carfi, A.
登録日2005-05-06
公開日2005-06-14
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Interdomain Communication in Hepatitis C Virus Polymerase Abolished by Small-Molecule Inhibitors Bound to a Novel Allosteric Site
J.Biol.Chem., 280, 2005
1AN1
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LEECH-DERIVED TRYPTASE INHIBITOR/TRYPSIN COMPLEX
分子名称: CALCIUM ION, TRYPSIN, TRYPTASE INHIBITOR
著者Priestle, J.P, Di Marco, S.
登録日1997-06-26
公開日1998-07-01
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Structure of the complex of leech-derived tryptase inhibitor (LDTI) with trypsin and modeling of the LDTI-tryptase system.
Structure, 5, 1997
1W3C
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Crystal structure of the Hepatitis C Virus NS3 Protease in complex with a peptidomimetic inhibitor
分子名称: 3-({(2S)-2-[({(1R)-1-[({(1R)-1-[(R)-CARBOXY(HYDROXY)METHYL]-3,3-DIFLUOROPROPYL}AMINO)CARBONYL]-3-METHYLBUTYL}AMINO)CARB ONYL]-2,3-DIHYDRO-1H-INDOL-2-YL}METHYL)THIOPHENE-2-CARBOXYLIC ACID, 3-({(2S)-2-[({(1S)-1-[({(1S)-1-[(R)-CARBOXY(HYDROXY)METHYL]-3,3-DIFLUOROPROPYL}AMINO)CARBONYL]-3-METHYLBUTYL}AMINO)CARBONYL]-2,3-DIHYDRO-1H-INDOL-2-YL}METHYL)THIOPHENE-2-CARBOXYLIC ACID, NONSTRUCTURAL PROTEIN NS4A (P4), ...
著者Di Marco, S, Volpari, C.
登録日2004-07-14
公開日2004-12-09
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The Design and Enzyme-Bound Crystal Structure of Indoline Based Peptidomimetic Inhibitors of Hepatitis C Virus Ns3 Protease
J.Med.Chem., 47, 2004
2WCX
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Crystal Structure of Hepatitis C Virus NS5B Polymerase in Complex with Thienopyrrole-Based Finger-Loop Inhibitors
分子名称: 6-CYCLOHEXYL-4-METHYL-5-PHENYL-4H-THIENO[3,2-B]PYRROLE-2-CARBOXYLIC ACID, MANGANESE (II) ION, RNA-DIRECTED RNA POLYMERASE
著者Di Marco, S.
登録日2009-03-17
公開日2009-08-18
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Optimization of Thienopyrrole-Based Finger-Loop Inhibitors of the Hepatitis C Virus Ns5B Polymerase.
Chemmedchem, 4, 2009
2XWY
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Structure of MK-3281, a Potent Non-Nucleoside Finger-Loop Inhibitor, in complex with the Hepatitis C Virus NS5B Polymerase
分子名称: (7R)-14-cyclohexyl-7-{[2-(dimethylamino)ethyl](methyl)amino}-7,8-dihydro-6H-indolo[1,2-e][1,5]benzoxazocine-11-carboxylic acid, MANGANESE (II) ION, RNA-DIRECTED RNA POLYMERASE
著者Di Marco, S, Baiocco, P.
登録日2010-11-06
公開日2010-12-22
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Discovery of (7R)-14-Cyclohexyl-7-{[2-(Dimethylamino)Ethyl] (Methyl)Amino}-7,8-Dihydro-6H-Indolo[1,2-E][1,5] Benzoxazocine -11-Carboxylic Acid (Mk-3281), a Potent and Orally Bioavailable Finger-Loop Inhibitor of the Hepatitis C Virus Ns5B Polymerase
J.Med.Chem., 54, 2011
2WHO
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CRYSTAL STRUCTURE OF HEPATITIS C VIRUS NS5B POLYMERASE FROM 1B GENOTYPE IN COMPLEX WITH A NON-NUCLEOSIDE INHIBITOR
分子名称: 2-(3-bromophenyl)-6-[(2-hydroxyethyl)amino]-1h-benzo[de]isoquinoline-1,3(2h)-dione, MANGANESE (II) ION, RNA-DIRECTED RNA POLYMERASE
著者Di Marco, S.
登録日2009-05-05
公開日2009-08-11
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Identification and biological evaluation of a series of 1H-benzo[de]isoquinoline-1,3(2H)-diones as hepatitis C virus NS5B polymerase inhibitors.
J. Med. Chem., 52, 2009
2XTJ
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The crystal structure of PCSK9 in complex with 1D05 Fab
分子名称: CALCIUM ION, FAB FROM A HUMAN MONOCLONAL ANTIBODY, 1D05, ...
著者Di Marco, S, Volpari, C, Carfi, A.
登録日2010-10-10
公開日2010-11-03
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献A Pcsk9-Binding Antibody that Structurally Mimics the Egf(A) Domain of Ldl-Receptor Reduces Ldl Cholesterol in Vivo.
J.Lipid Res., 52, 2011
2WRM
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Identification of Novel Allosteric Inhibitors of Hepatitis C Virus NS5B Polymerase Thumb Domain (Site II) by Structure-Based Design
分子名称: (3R)-3-(4-METHYL-1,3-DIOXO-1,3-DIHYDRO-2H-PYRROLO[3,4-C]QUINOLIN-2-YL)HEXANOIC ACID, RNA-DIRECTED RNA POLYMERASE
著者Di Marco, S.
登録日2009-09-01
公開日2010-09-22
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Identification of Novel Allosteric Inhibitors of Hepatitis C Virus Ns5B Polymerase Thumb Domain (Site II) by Structure-Based Design
To be Published
2V5X
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Crystal structure of HDAC8-inhibitor complex
分子名称: (2R)-N~8~-HYDROXY-2-{[(5-METHOXY-2-METHYL-1H-INDOL-3-YL)ACETYL]AMINO}-N~1~-[2-(2-PHENYL-1H-INDOL-3-YL)ETHYL]OCTANEDIAMIDE, HISTONE DEACETYLASE 8, POTASSIUM ION, ...
著者Di Marco, S, Vannini, A, Volpari, C, Gallinari, P, Jones, P, Mattu, M, Carfi, A, Defrancesco, R, Steinkuhler, C.
登録日2007-07-10
公開日2007-09-04
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Substrate Binding to Histone Deacetylases as Revealed by Crystal Structure of Hdac8-Substrate Complex
Embo Rep., 8, 2007
2V5W
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Crystal structure of HDAC8-substrate complex
分子名称: GLYCYL-GLYCYL-GLYCINE, HISTONE DEACETYLASE 8, PEPTIDIC SUBSTRATE, ...
著者Di Marco, S, Vannini, A, Volpari, C.
登録日2007-07-10
公開日2007-09-04
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Substrate Binding to Histone Deacetylases as Revealed by Crystal Structure of Hdac8-Substrate Complex
Embo Rep., 8, 2007
1BX7
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BU of 1bx7 by Molmil
HIRUSTASIN FROM HIRUDO MEDICINALIS AT 1.2 ANGSTROMS
分子名称: HIRUSTASIN, SULFATE ION
著者Uson, I, Sheldrick, G.M, De La Fortelle, E, Bricogne, G, Di Marco, S, Priestle, J.P, Gruetter, M.G, Mittl, P.R.E.
登録日1998-10-14
公開日1999-04-27
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献The 1.2 A crystal structure of hirustasin reveals the intrinsic flexibility of a family of highly disulphide-bridged inhibitors.
Structure Fold.Des., 7, 1999
1BX8
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HIRUSTASIN FROM HIRUDO MEDICINALIS AT 1.4 ANGSTROMS
分子名称: HIRUSTASIN, SULFATE ION
著者Uson, I, Sheldrick, G.M, De La Fortelle, E, Bricogne, G, Di Marco, S, Priestle, J.P, Gruetter, M.G, Mittl, P.R.E.
登録日1998-10-14
公開日1999-04-27
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献The 1.2 A crystal structure of hirustasin reveals the intrinsic flexibility of a family of highly disulphide-bridged inhibitors.
Structure Fold.Des., 7, 1999
1H0M
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BU of 1h0m by Molmil
Three-dimensional structure of the quorum sensing protein TraR bound to its autoinducer and to its target DNA
分子名称: 3-OXO-OCTANOIC ACID (2-OXO-TETRAHYDRO-FURAN-3-YL)-AMIDE, 5'-D(*AP*TP*GP*TP*GP*CP*AP*GP*AP*TP *CP*TP*GP*CP*AP*CP*AP*T)-3', Transcriptional activator protein TraR
著者Vannini, A, Volpari, C, Gargioli, C, Muraglia, E, Cortese, R, De Francesco, R, Neddermann, P, Di Marco, S.
登録日2002-06-25
公開日2002-08-29
最終更新日2020-12-16
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献The Crystal Structure of the Quorum Sensing Protein Trar Bound to its Autoinducer and Target DNA
Embo J., 21, 2002
1HIA
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KALLIKREIN COMPLEXED WITH HIRUSTASIN
分子名称: HIRUSTASIN, KALLIKREIN
著者Mittl, P, Di Marco, S, Gruetter, M.
登録日1996-12-12
公開日1997-12-24
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献A new structural class of serine protease inhibitors revealed by the structure of the hirustasin-kallikrein complex.
Structure, 5, 1997
1UPG
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Crystal structure of the quorum-sensing protein TraM from Agrobacterium tumefaciens
分子名称: TRANSCRIPTIONAL REPRESSOR TRAM
著者Vannini, A, Di Marco, S.
登録日2003-09-30
公開日2004-05-25
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure of the Quorum-Sensing Protein Tram and its Interaction with the Transcriptional Regulator Trar
J.Biol.Chem., 279, 2004
1US6
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Crystal structure of the quorum-sensing protein TraM from Agrobacterium tumefaciens at 1.65 Ang. resolution
分子名称: TRANSCRIPTIONAL REPRESSOR TRAM
著者Vannini, A, Di Marco, S.
登録日2003-11-18
公開日2004-05-25
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal Structure of the Quorum-Sensing Protein Tram and its Interaction with the Transcriptional Regulator Trar
J.Biol.Chem., 279, 2004
1W22
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Crystal structure of inhibited human HDAC8
分子名称: HISTONE DEACETYLASE 8, N-HYDROXY-4-(METHYL{[5-(2-PYRIDINYL)-2-THIENYL]SULFONYL}AMINO)BENZAMIDE, POTASSIUM ION, ...
著者Vannini, A, Volpari, C, Caroli Casavola, E, Di Marco, S.
登録日2004-06-25
公開日2004-09-24
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal Structure of a Eukaryotic Zn-Dependent Histone Deacetylase,Human Hdac8,Complexed with a Hydroxamic Acid Inhibitor
Proc.Natl.Acad.Sci.USA, 101, 2004
1CP3
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CRYSTAL STRUCTURE OF THE COMPLEX OF APOPAIN WITH THE TETRAPEPTIDE INHIBITOR ACE-DVAD-FMC
分子名称: ACETYL-ASP-VAL-ALA-ASP-FLUOROMETHYLKETONE, APOPAIN
著者Mittl, P.R.E, Dimarco, S, Gruetter, M.G.
登録日1996-12-12
公開日1997-12-24
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of recombinant human CPP32 in complex with the tetrapeptide acetyl-Asp-Val-Ala-Asp fluoromethyl ketone.
J.Biol.Chem., 272, 1997
3HVO
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Structure of the genotype 2B HCV polymerase bound to a NNI
分子名称: 2-(3-bromophenyl)-6-[(2-hydroxyethyl)amino]-1h-benzo[de]isoquinoline-1,3(2h)-dione, Genome polyprotein
著者Rydberg, E.H, Carfi, A.
登録日2009-06-16
公開日2009-08-04
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Identification and Biological Evaluation of a Series of 1H-Benzo[de]isoquinoline-1,3(2H)-diones as Hepatitis C Virus NS5B Polymerase Inhibitors
To be Published

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